N-(azepan-1-yl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide

C22H23FN4O3 — CID 54681850

IUPACN-(azepan-1-yl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide
SMILESO=C(NN1CCCCCC1)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O
InChIInChI=1S/C22H23FN4O3/c23-16-7-5-14(6-8-16)11-15-12-17-19(24-13-15)20(28)18(21(29)25-17)22(30)26-27-9-3-1-2-4-10-27/h5-8,12-13H,1-4,9-11H2,(H,26,30)(H2,25,28,29)
InChIKeyZNMFXQSDTFDPBK-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.88
Rot. Bonds4

About N-(azepan-1-yl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide

N-(azepan-1-yl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide (PubChem CID 54681850) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is N-(azepan-1-yl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(azepan-1-yl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide
PubChem CID54681850
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC NameN-(azepan-1-yl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide
SMILESO=C(NN1CCCCCC1)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O
InChIInChI=1S/C22H23FN4O3/c23-16-7-5-14(6-8-16)11-15-12-17-19(24-13-15)20(28)18(21(29)25-17)22(30)26-27-9-3-1-2-4-10-27/h5-8,12-13H,1-4,9-11H2,(H,26,30)(H2,25,28,29)
InChIKeyZNMFXQSDTFDPBK-UHFFFAOYSA-N
XLogP2.88
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

7-benzyl-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carbaldehyde
CID 136600276
1-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
CID 69482566
N-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 58882911
ethoxy-[3-[[7-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonyl]amino]propyl]phosphinic acid
CID 90956606
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-2-oxo-1-[2-(2-oxopiperidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide
CID 69482192
7-ethyl-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide
CID 59158406
methyl 5-(1,1-dioxothiazinan-2-yl)-3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 59696277
N-(1,3-dihydroxypropan-2-yl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide
CID 69482473
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
CID 69480387
1-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,5-naphthyridine-3-carboxamide
CID 69482455
7-benzyl-1-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide
CID 57401613
1-[2-(dimethylcarbamoylamino)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
CID 69480931

Frequently Asked Questions

What is the IUPAC name of N-(azepan-1-yl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of N-(azepan-1-yl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide (CID 54681850) is N-(azepan-1-yl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(azepan-1-yl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for N-(azepan-1-yl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide is O=C(NN1CCCCCC1)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O.
What is the InChIKey of N-(azepan-1-yl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The InChIKey is ZNMFXQSDTFDPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c23-16-7-5-14(6-8-16)11-15-12-17-19(24-13-15)20(28)18(21(29)25-17)22(30)26-27-9-3-1-2-4-10-27/h5-8,12-13H,1-4,9-11H2,(H,26,30)(H2,25,28,29).
What are the key properties of N-(azepan-1-yl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
N-(azepan-1-yl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-1-yl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 54681850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).